キャピラリー電気泳動-質量分析（CE-MS）の選択イオンモニター法（SIM, selected ion monitoring）で検出された化合物ピークを、迅速に検出・定量・同定するためのJavaソフトウェアです。
SpiceHit is a peak detection and identification tool for capillary electrophoresis - mass spectrometry, specifically designed for high-throughput analyses with selected ion monitoring (SIM) method. The peaks are detected and quantified from the electropherogram data provided as comma separated vector (CSV) format or the binary files generated by ChemStation (Agilent technologies, Palo, Alto, CA), and identified by comparing the standard compound library which is also prepared by SpiceHit. The peak information is exported as CSV files or Microsoft Excel files. SpiceHit stands for "SIM based Peak Identification tool for Capillary Electrophoresis - mass spectrometory in a HIgh-Throughput manner."
SpiceHit ver 2.2 (zip compressed file 13.4 MB)
Manual (in English, pdf file 1.35 MB)
* Click once and wait for a while. Due to the security checking system of the server, it may take ~90 seconds to start downloading.
SpiceHit has been tested under following environment. Java Runtime Environment (1.6 or later) is required.
OS: Windows XP / Vista / 7 (32 bit, 64 bit)
Software: Java Runtime Environment (JRE 1.6.0_32)
Nozomu Sakurai, e-mail: sakurai AT kazusa.or.jp
This software is academic free, and is not allowed to use for commercial purpose.
SpiceHit, a tool for high-throughput analyses of the data obtained by CE-MS with single ion monitoring (SIM) method, was updated. In the peak identification, a function to suggest only the best peak corresponding to each standard compound was implemented, where all the candidate peaks have been enumerated so far.
MFSearcher was updated. A search function for the 15062 metabolites published at the Human Metabolome Database (HMDB, Version 3.0) was implementes.
MFSearcher is a web service for rapid prediction of elemental compositions and rapid search for compound databases by mass values detected in metabolomics studies.